SCHEMBL8055338

SCHEMBL8055338

Nc1ccnc2c1CCC2O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.37
ACHE P22303 1/20 0.36
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10286102 0.88 ACHE (0.42) ACHENOS3NOS1NOS2
SCHEMBL29532721 0.78 HTR2A (0.39) EPAS1ACHE
SCHEMBL1424574 0.78 HTR2A (0.39) EPAS1ACHE
SCHEMBL8263257 0.78 HTR2A (0.39) EPAS1
SCHEMBL379328 0.78 HTR2A (0.39) EPAS1ACHE
SCHEMBL15267245 0.78 HTR2A (0.39) EPAS1ACHE
SCHEMBL13270953 0.78 HTR2A (0.39) EPAS1ACHENOS3NOS2
SCHEMBL17144461 0.74 ADRA1A (0.40) EPAS1
SCHEMBL18629742 0.74 EPAS1 (0.35) EPAS1
SCHEMBL8054157 0.73 USP2 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185541-B1 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO disclosed
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 EPAS1 1106/4885ACHE 1808/4885NOS3 3053/4885
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT EPAS1 2204/4885ACHE 2626/4885NOS3 370/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.